SCHEMBL4292693

SCHEMBL4292693

N#CCCNC(=O)c1nn(C2CCCCO2)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 3/20 0.33
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HSD17B10 Q99714 5/20 0.31
KDM4E B2RXH2 3/20 0.31
GAA P10253 3/20 0.31
TSHR P16473 3/20 0.31
HPGD P15428 3/20 0.31
MAPK1 P28482 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
MAPT P10636 2/20 0.31
THRB P10828 2/20 0.31
APAF1 O14727 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
SENP8 Q96LD8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4284333 0.84 L3MBTL1 (0.38) CD274ALDH1A1LMNAGAAHPGD
SCHEMBL4288424 0.83 CD274 (0.37) CD274ALDH1A1POLBKDM4EMAPT
SCHEMBL4284325 0.82 CD274 (0.36) CD274ABL1
SCHEMBL4289272 0.81 CD274 (0.41) CD274ALDH1A1POLBKDM4EGAA
SCHEMBL4288766 0.80 CD274 (0.42) CD274ALDH1A1LMNAPOLBHSD17B10
SCHEMBL4292790 0.79 RAB9A (0.44) ALDH1A1POLBHSD17B10KDM4ETSHR
SCHEMBL4285433 0.79 CD274 (0.38) CD274HSD17B10HPGDABL1PKM
SCHEMBL4279964 0.79 TSHR (0.39) CD274ALDH1A1LMNAPOLBHSD17B10
SCHEMBL4288394 0.78 LMNA (0.39) CD274ALDH1A1LMNAPOLBGAA
SCHEMBL4279726 0.78 HPGD (0.41) CD274ALDH1A1LMNAHSD17B10KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156582-A1 Pyrazole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1847531-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156582-A1 Pyrazole Compound GSK3B, GSK3A, GSKIP CD274 2230/4885ALDH1A1 694/4885MCL1 2050/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.